8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]

C15H24O — CID 163115290

IUPAC8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]
SMILESC=C(C)C1CCC2(C)CCCC3(CO3)C2C1
InChIInChI=1S/C15H24O/c1-11(2)12-5-8-14(3)6-4-7-15(10-16-15)13(14)9-12/h12-13H,1,4-10H2,2-3H3
InChIKeyXHVUUSMDESYGHE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds1

About 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]

8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane] (PubChem CID 163115290) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane].

Molecular Properties

Compound Name8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]
PubChem CID163115290
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]
SMILESC=C(C)C1CCC2(C)CCCC3(CO3)C2C1
InChIInChI=1S/C15H24O/c1-11(2)12-5-8-14(3)6-4-7-15(10-16-15)13(14)9-12/h12-13H,1,4-10H2,2-3H3
InChIKeyXHVUUSMDESYGHE-UHFFFAOYSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]?
The IUPAC name of 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane] (CID 163115290) is 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane].
What is the SMILES notation for 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]?
The canonical SMILES for 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane] is C=C(C)C1CCC2(C)CCCC3(CO3)C2C1.
What is the InChIKey of 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]?
The InChIKey is XHVUUSMDESYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)12-5-8-14(3)6-4-7-15(10-16-15)13(14)9-12/h12-13H,1,4-10H2,2-3H3.
What are the key properties of 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane]?
8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane] has a molecular weight of 220.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,2'-oxirane] is sourced from PubChem (CID 163115290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).